(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine

C13H19N3 — CID 143295886

IUPAC(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C=C\C=C(/CN(C)C)C1C=CC=NC1
InChIInChI=1S/C13H19N3/c1-14-8-4-7-13(11-16(2)3)12-6-5-9-15-10-12/h4-9,12H,1,10-11H2,2-3H3/b8-4-,13-7+
InChIKeyHOGSYBXRZLBOFU-UYPGYXLJSA-N
MW217.32 g/mol
LogP1.95
Rot. Bonds5

About (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine

(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine (PubChem CID 143295886) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
PubChem CID143295886
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C=C\C=C(/CN(C)C)C1C=CC=NC1
InChIInChI=1S/C13H19N3/c1-14-8-4-7-13(11-16(2)3)12-6-5-9-15-10-12/h4-9,12H,1,10-11H2,2-3H3/b8-4-,13-7+
InChIKeyHOGSYBXRZLBOFU-UYPGYXLJSA-N
XLogP1.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,9,15,17-Tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene
CID 123780342
1-methyl-3-[(1-methyl-2H-pyrrol-1-ium-3-yl)methylidene]-2H-pyrrole
CID 54207140
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 59874184
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
CID 90152403
N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
CID 91253432
ethane;1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 91292357
2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium
CID 91342098
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061
N-methyl-N-[(3-methylidene-2-pyridinylidene)methyl]ethanamine
CID 123177991
N-[(Z)-2-(3-methyl-2,3-dihydropyridin-4-yl)ethenyl]ethanimine
CID 123827314
N-[1-(4-methylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
CID 123868508

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine (CID 143295886) is (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine is C=N/C=C\C=C(/CN(C)C)C1C=CC=NC1.
What is the InChIKey of (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine?
The InChIKey is HOGSYBXRZLBOFU-UYPGYXLJSA-N. The full InChI is InChI=1S/C13H19N3/c1-14-8-4-7-13(11-16(2)3)12-6-5-9-15-10-12/h4-9,12H,1,10-11H2,2-3H3/b8-4-,13-7+.
What are the key properties of (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine?
(2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine has a molecular weight of 217.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(2,3-dihydropyridin-3-yl)-N,N-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine is sourced from PubChem (CID 143295886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).